CID 573386

4-(octadecyloxy)aniline

Structural Information

Molecular Formula
C24H43NO
SMILES
CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)N
InChI
InChI=1S/C24H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-24-20-18-23(25)19-21-24/h18-21H,2-17,22,25H2,1H3
InChIKey
VHLNNLJPJGVFRU-UHFFFAOYSA-N
Compound name
4-octadecoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

361.33447 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.34175 199.1
[M+Na]+ 384.32369 200.0
[M-H]- 360.32719 199.4
[M+NH4]+ 379.36829 211.4
[M+K]+ 400.29763 194.5
[M+H-H2O]+ 344.33173 190.1
[M+HCOO]- 406.33267 219.1
[M+CH3COO]- 420.34832 223.7
[M+Na-2H]- 382.30914 197.7
[M]+ 361.33392 204.5
[M]- 361.33502 204.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe